CID 131822364

Pa(a-13:0/i-17:0)

Structural Information

Molecular Formula
C33H65O8P
SMILES
CCC(C)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C33H65O8P/c1-5-30(4)24-20-16-13-14-17-21-25-32(34)39-27-31(28-40-42(36,37)38)41-33(35)26-22-18-12-10-8-6-7-9-11-15-19-23-29(2)3/h29-31H,5-28H2,1-4H3,(H2,36,37,38)/t30?,31-/m1/s1
InChIKey
RPGJFBVDKPLJCB-NLIBRCFJSA-N
Compound name
[(2R)-1-(10-methyldodecanoyloxy)-3-phosphonooxypropan-2-yl] 15-methylhexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

620.4417 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.44898 253.5
[M+Na]+ 643.43092 256.0
[M-H]- 619.43442 247.0
[M+NH4]+ 638.47552 260.6
[M+K]+ 659.40486 257.6
[M+H-H2O]+ 603.43896 245.6
[M+HCOO]- 665.43990 251.6
[M+CH3COO]- 679.45555 263.7
[M+Na-2H]- 641.41637 235.7
[M]+ 620.44115 252.3
[M]- 620.44225 252.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.